In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2008 | 24 | Yes |
Popular Name: (2S)-1-(4-tert-butylcyclohexoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol (2S)-1-(4-tert-butylcyclohexoxy)…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.95 | 0.96 | -6.81 | 2 | 5 | 0 | 56 | 342.524 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.95 | 3.3 | -40.53 | 3 | 5 | 1 | 57 | 343.532 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.95 | 3.35 | -35.15 | 3 | 5 | 1 | 57 | 343.532 | 8 | ↓ |